
 CHEMBL111858

 25 24  0  0  0  0  0  0  0  0999 V2000
    0.9279    0.2440    0.3131 C   0  0  0  0  0
    0.2520    0.6143   -1.0071 C   0  0  0  0  0
    0.3955    2.0276   -1.3191 N   0  0  0  0  0
    2.4485    0.1543    0.2455 C   0  0  0  0  0
    3.3404    1.6783    0.0144 P   0  0  0  0  0
    3.1810    2.3070   -1.3386 O   0  0  0  0  0
    3.0541    2.7764    1.3936 C   0  0  0  0  0
    3.4736    2.2017    2.7384 C   0  0  0  0  0
    3.1783    3.1324    3.8232 N   0  0  0  0  0
    4.8835    1.2330    0.1932 O   0  0  0  0  0
    0.6302    0.9497    1.0976 H   0  0  0  0  0
    0.5469   -0.7383    0.6190 H   0  0  0  0  0
   -0.8183    0.3944   -0.9230 H   0  0  0  0  0
    0.6435    0.0044   -1.8288 H   0  0  0  0  0
    1.3695    2.2307   -1.5941 H   0  0  0  0  0
   -0.1421    2.2416   -2.1599 H   0  0  0  0  0
    2.7341   -0.5362   -0.5567 H   0  0  0  0  0
    2.8008   -0.3051    1.1759 H   0  0  0  0  0
    1.9906    3.0398    1.4125 H   0  0  0  0  0
    3.6068    3.7044    1.2058 H   0  0  0  0  0
    4.5457    1.9780    2.7350 H   0  0  0  0  0
    2.9475    1.2616    2.9281 H   0  0  0  0  0
    3.6882    4.0049    3.6860 H   0  0  0  0  0
    3.5135    2.7449    4.7054 H   0  0  0  0  0
    5.5014    1.8581   -0.2390 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  2 14  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5 10  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL111858

>  <PubChem CID>
14743817

>  <Formula>
C5H15N2O2P

>  <Molecular Weight>
166.161000

>  <IUPAC Name>
2-aminoethyl(3-aminopropyl)phosphinic acid

>  <XlogP>
-4.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C(CN)CP(=O)(CCN)O

>  <Isomeric SMILES>
C(CN)CP(=O)(CCN)O

>  <InChI Std. ID>
InChI=1S/C5H15N2O2P/c6-2-1-4-10(8,9)5-3-7/h1-7H2,(H,8,9)

>  <InChI Key>
BYVZTECKEWPHLD-UHFFFAOYSA-N

